| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
A |
46 |
10 |
2372 |
◊ |
A |
-x,y,-z |
2_555 |
45 |
10 |
2372 |
446.9 |
-7.4 |
0.489 |
34 |
0 |
0 |
0.214 |
| 2 |
2 |
|
A |
15 |
1 |
2372 |
x |
A |
x,y,z-1 |
1_554 |
11 |
1 |
2372 |
86.5 |
2.0 |
0.799 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
9 |
1 |
2372 |
x |
A |
x-1/2,y-1/2,z-1 |
3_444 |
8 |
2 |
2372 |
71.6 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[TL]A:106 |
1 |
1 |
142 |
f |
A |
-x,y,-z |
2_555 |
11 |
3 |
2372 |
65.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.120 |
| 5 |
5 |
|
A |
11 |
2 |
2372 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
2372 |
64.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[TL]A:102 |
1 |
1 |
142 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
2372 |
54.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.103 |
| 7 |
7 |
|
[MG]A:25 |
1 |
1 |
98 |
f |
[MG]A:25 |
-x,y,-z+1 |
2_556 |
1 |
1 |
98 |
47.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.114 |
| 8 |
8 |
|
[TL]A:101 |
1 |
1 |
142 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
2372 |
45.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.140 |
9 |
|
[TL]A:104 |
1 |
1 |
142 |
x |
A |
-x,y,-z-1 |
2_554 |
8 |
2 |
2372 |
38.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.140 |
10 |
|
[TL]A:105 |
1 |
1 |
142 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
2372 |
30.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
38.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.140 |
| 9 |
11 |
|
[TL]A:103 |
1 |
1 |
142 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
2372 |
45.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.082 |
| 10 |
12 |
|
A |
4 |
2 |
2372 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
2372 |
40.4 |
-1.7 |
0.381 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[TL]A:103 |
1 |
1 |
142 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
3 |
2372 |
37.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 12 |
14 |
|
[TL]A:105 |
1 |
1 |
142 |
f |
[TL]A:105 |
-x,y,-z-1 |
2_554 |
1 |
1 |
142 |
37.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 13 |
15 |
|
A |
7 |
1 |
2372 |
◊ |
A |
-x,y,-z-1 |
2_554 |
7 |
1 |
2372 |
36.6 |
-0.7 |
0.514 |
0 |
0 |
0 |
0.004 |
| 14 |
16 |
|
[MG]A:24 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
2372 |
34.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.078 |
| 15 |
17 |
|
[TL]A:102 |
1 |
1 |
142 |
f |
[MG]A:21 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.129 |
| 16 |
18 |
|
[TL]A:103 |
1 |
1 |
142 |
◊ |
[TL]A:103 |
-x,y,-z |
2_555 |
1 |
1 |
142 |
28.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 17 |
19 |
|
[TL]A:105 |
1 |
1 |
142 |
fx |
[TL]A:101 |
x,y,z |
1_555 |
1 |
1 |
142 |
28.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| 18 |
20 |
|
[TL]A:105 |
1 |
1 |
142 |
fx |
[TL]A:104 |
x,y,z |
1_555 |
1 |
1 |
142 |
28.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.075 |
| 19 |
21 |
|
[MG]A:21 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
2372 |
26.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.084 |
| 20 |
22 |
|
[MG]A:25 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
2372 |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.144 |
| 21 |
23 |
|
[MG]A:24 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
2 |
2372 |
25.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.057 |
| 22 |
24 |
|
[TL]A:106 |
1 |
1 |
142 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
2372 |
25.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 23 |
25 |
|
[TL]A:104 |
1 |
1 |
142 |
f |
[MG]A:22 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| 24 |
26 |
|
[TL]A:102 |
1 |
1 |
142 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
2372 |
22.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 25 |
27 |
|
[MG]A:21 |
1 |
1 |
98 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
2372 |
20.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[TL]A:106 |
1 |
1 |
142 |
◊ |
[MG]A:24 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.057 |
| 27 |
29 |
|
[TL]A:103 |
1 |
1 |
142 |
f |
[TL]A:102 |
x,y,z |
1_555 |
1 |
1 |
142 |
19.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| 28 |
30 |
|
[MG]A:23 |
1 |
1 |
98 |
f |
A |
-x,y-1,-z |
2_545 |
5 |
1 |
2372 |
18.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 29 |
31 |
|
[MG]A:22 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z-1 |
2_554 |
5 |
2 |
2372 |
18.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 30 |
32 |
|
[TL]A:105 |
1 |
1 |
142 |
fx |
[MG]A:22 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| 31 |
33 |
|
A |
4 |
1 |
2372 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
2372 |
17.2 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
A |
3 |
1 |
2372 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
2372 |
17.0 |
-0.9 |
0.373 |
0 |
0 |
0 |
0.010 |
| 33 |
35 |
|
[MG]A:23 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2372 |
17.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[TL]A:101 |
1 |
1 |
142 |
x |
A |
-x,y,-z |
2_555 |
1 |
1 |
2372 |
15.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
|
[TL]A:105 |
1 |
1 |
142 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
2372 |
12.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
|
[TL]A:104 |
1 |
1 |
142 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
2372 |
7.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
12.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 35 |
39 |
|
[TL]A:104 |
1 |
1 |
142 |
fx |
[TL]A:101 |
x,y,z |
1_555 |
1 |
1 |
142 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 36 |
40 |
|
[TL]A:104 |
1 |
1 |
142 |
f |
[TL]A:104 |
-x,y,-z-1 |
2_554 |
1 |
1 |
142 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 37 |
41 |
|
A |
3 |
1 |
2372 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
2372 |
14.8 |
-1.6 |
0.238 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
A |
3 |
1 |
2372 |
x |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
2372 |
12.9 |
-0.8 |
0.260 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[TL]A:104 |
1 |
1 |
142 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2372 |
12.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
|
[TL]A:101 |
1 |
1 |
142 |
◊ |
A |
-x,y,-z-1 |
2_554 |
4 |
1 |
2372 |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 40 |
45 |
|
[TL]A:104 |
1 |
1 |
142 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
2372 |
12.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
46 |
|
[TL]A:101 |
1 |
1 |
142 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
2372 |
1.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
6.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 41 |
47 |
|
[MG]A:23 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
2372 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[TL]A:101 |
1 |
1 |
142 |
fx |
[MG]A:22 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.043 |
| 43 |
49 |
|
[TL]A:101 |
1 |
1 |
142 |
f |
[TL]A:101 |
-x,y,-z-1 |
2_554 |
1 |
1 |
142 |
9.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 44 |
50 |
|
[TL]A:102 |
1 |
1 |
142 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
2372 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
A |
3 |
1 |
2372 |
◊ |
[TL]A:106 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
142 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[TL]A:103 |
1 |
1 |
142 |
f |
[MG]A:21 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.031 |
| 47 |
53 |
|
A |
1 |
1 |
2372 |
x |
[MG]A:25 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
6.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 48 |
54 |
|
[TL]A:104 |
1 |
1 |
142 |
f |
[MG]A:22 |
-x,y,-z-1 |
2_554 |
1 |
1 |
98 |
3.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 49 |
55 |
|
A |
1 |
1 |
2372 |
◊ |
[MG]A:24 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
3.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[MG]A:22 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
2372 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[MG]A:21 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
2372 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 52 |
58 |
|
A |
1 |
1 |
2372 |
x |
[MG]A:25 |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
98 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|